Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C28H29ClN6O8 |
| Molecular Weight | 613.018 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCCCC1=NC(Cl)=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN=NN4)C(=O)O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O
InChI
InChIKey=CESPMOKWUZJHJJ-BMILHVPESA-N
InChI=1S/C28H29ClN6O8/c1-2-3-8-18-30-24(29)19(27(41)43-28-22(38)20(36)21(37)23(42-28)26(39)40)35(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)25-31-33-34-32-25/h4-7,9-12,20-23,28,36-38H,2-3,8,13H2,1H3,(H,39,40)(H,31,32,33,34)/t20-,21-,22+,23-,28-/m0/s1
| Molecular Formula | C28H29ClN6O8 |
| Molecular Weight | 613.018 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 17:20:39 GMT 2025
by
admin
on
Wed Apr 02 17:20:39 GMT 2025
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| Record UNII |
DS6TCA55JJ
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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71749843
Created by
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DS6TCA55JJ
Created by
admin on Wed Apr 02 17:20:39 GMT 2025 , Edited by admin on Wed Apr 02 17:20:39 GMT 2025
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1799830-02-6
Created by
admin on Wed Apr 02 17:20:39 GMT 2025 , Edited by admin on Wed Apr 02 17:20:39 GMT 2025
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PRIMARY |